UCSF

ZINC57456712

Substance Information

In ZINC since Heavy atoms Benign functionality
January 21st, 2011 28 Yes

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.02 9.99 -11.91 2 5 0 61 379.504 5
Lo Low (pH 4.5-6) 4.02 10.32 -34.61 3 5 1 63 380.512 5

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )